12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide

C44H28N3OP — CID 121310411

IUPAC12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)c3c21
InChIInChI=1S/C44H28N3OP/c48-49(32-15-5-2-6-16-32)40-22-12-9-18-34(40)36-28-27-35-33-17-8-11-21-39(33)47(42(35)43(36)49)44-45-38-20-10-7-19-37(38)41(46-44)31-25-23-30(24-26-31)29-13-3-1-4-14-29/h1-28H
InChIKeyAMMVQPDTNUSVHR-UHFFFAOYSA-N
MW645.70 g/mol
LogP9.68
Rot. Bonds4

About 12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide

12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide (PubChem CID 121310411) has the molecular formula C44H28N3OP and a molecular weight of 645.70 g/mol. Its IUPAC name is 12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide.

Molecular Properties

Compound Name12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide
PubChem CID121310411
Molecular FormulaC44H28N3OP
Molecular Weight645.70 g/mol
Exact Mass645.20
IUPAC Name12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)c3c21
InChIInChI=1S/C44H28N3OP/c48-49(32-15-5-2-6-16-32)40-22-12-9-18-34(40)36-28-27-35-33-17-8-11-21-39(33)47(42(35)43(36)49)44-45-38-20-10-7-19-37(38)41(46-44)31-25-23-30(24-26-31)29-13-3-1-4-14-29/h1-28H
InChIKeyAMMVQPDTNUSVHR-UHFFFAOYSA-N
XLogP9.68
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.70
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310791
12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310471
12-phenyl-11-(3-phenylphenyl)phosphindolo[2,3-a]carbazole 12-oxide
CID 121310386
11-naphthalen-1-yl-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310385
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510
11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide;11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide;N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159948216
24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide
CID 121310541
12-phenyl-5-(4-phenylquinazolin-2-yl)phosphindolo[3,2-c]carbazole 12-oxide;12-phenyl-5-quinazolin-2-ylphosphindolo[3,2-c]carbazole 12-oxide;12-phenyl-5-quinolin-8-ylphosphindolo[3,2-c]carbazole 12-oxide
CID 160502776
24-[4-(4-phenylphenyl)quinazolin-2-yl]-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene
CID 121432163
11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310442
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310437
9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole
CID 177109125

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide?
The IUPAC name of 12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide (CID 121310411) is 12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide.
What is the SMILES notation for 12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide?
The canonical SMILES for 12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide is O=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)c3c21.
What is the InChIKey of 12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide?
The InChIKey is AMMVQPDTNUSVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N3OP/c48-49(32-15-5-2-6-16-32)40-22-12-9-18-34(40)36-28-27-35-33-17-8-11-21-39(33)47(42(35)43(36)49)44-45-38-20-10-7-19-37(38)41(46-44)31-25-23-30(24-26-31)29-13-3-1-4-14-29/h1-28H.
What are the key properties of 12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide?
12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide has a molecular weight of 645.70 g/mol, XLogP of 9.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide is sourced from PubChem (CID 121310411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).